(1R,2R)-1-hydroxy-7,13-diazatricyclo[11.3.1.02,7]heptadecane-6,9,17-trione
PubChem CID: 145975643
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4206072 |
|---|---|
| Topological Polar Surface Area | 77.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2R)-1-hydroxy-7,13-diazatricyclo[11.3.1.02,7]heptadecane-6,9,17-trione |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C15H22N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AACILSKEUHTMFW-IUODEOHRSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.648 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.522 |
| Compound Name | (1R,2R)-1-hydroxy-7,13-diazatricyclo[11.3.1.02,7]heptadecane-6,9,17-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.158 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2302761999999998 |
| Inchi | InChI=1S/C15H22N2O4/c18-11-4-2-8-16-9-3-7-15(21,14(16)20)12-5-1-6-13(19)17(12)10-11/h12,21H,1-10H2/t12-,15-/m1/s1 |
| Smiles | C1C[C@@H]2[C@@]3(CCCN(C3=O)CCCC(=O)CN2C(=O)C1)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients